%chk=000266437.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266437

0 1
S -0.901753 0.456993 -0.333891
O 2.132183 3.500578 2.130558
N 1.809154 0.402894 -0.482366
N 0.799211 2.044239 0.951801
C 1.705176 -0.770248 -1.392892
C 2.129220 -2.042569 -0.697807
C 0.705945 1.046131 0.117421
C 3.093409 0.837255 -0.084270
C -2.020860 1.606434 0.538025
C 1.333078 -2.591559 0.317044
C 3.319696 -2.679913 -1.075496
C -3.381048 1.101839 0.196766
C 3.241483 1.870043 0.778904
C 1.728784 -3.772685 0.950650
C 3.708385 -3.863140 -0.440859
C 2.081405 2.567179 1.364743
C -4.012474 0.159360 1.024838
C -4.039280 1.568725 -0.952789
C 2.915134 -4.410011 0.572850
C -5.289577 -0.307839 0.704650
C -5.316229 1.097063 -1.267036
C -5.943130 0.159098 -0.440360
H 2.334615 -0.570442 -2.293962
H 0.666428 -0.876728 -1.790059
H 3.943640 0.297716 -0.517465
H -1.836319 2.650761 0.208430
H -1.803822 1.606051 1.628214
H 0.407288 -2.098138 0.616309
H 3.943140 -2.262755 -1.863923
H 4.221419 2.230602 1.086726
H 1.110346 -4.196569 1.741403
H 4.632092 -4.359059 -0.736438
H -3.508529 -0.207273 1.918301
H -3.556249 2.299705 -1.600121
H 3.220928 -5.330677 1.067826
H -5.777175 -1.037055 1.350163
H -5.824499 1.462615 -2.158244
H -6.938616 -0.205720 -0.686848


%chk=000266437-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266437

0 1
S -0.456041 0.935519 -1.697911
O 0.654052 3.069304 2.800278
N 1.822116 0.489916 -0.197773
N 0.243196 2.042098 0.722519
C 2.265453 -0.455694 -1.265397
C 2.269551 -1.911162 -0.811942
C 0.620404 1.214306 -0.223115
C 2.643057 0.664754 0.924287
C -1.948094 2.051751 -1.204371
C 1.089043 -2.508766 -0.300376
C 3.449735 -2.686228 -0.916046
C -3.043153 1.300049 -0.492196
C 2.303561 1.515984 1.945530
C 1.094566 -3.861093 0.101844
C 3.454351 -4.043387 -0.517856
C 1.040552 2.275209 1.896095
C -3.073502 1.262579 0.927468
C -4.067159 0.640569 -1.221923
C 2.276603 -4.632737 -0.006280
C -4.107015 0.573331 1.599758
C -5.099462 -0.048935 -0.548927
C -5.121228 -0.085233 0.865427
H 3.276779 -0.151215 -1.592052
H 1.592103 -0.319822 -2.129008
H 3.559391 0.068027 0.928003
H -2.264661 2.467202 -2.174247
H -1.488990 2.827200 -0.570169
H 0.169251 -1.916808 -0.221216
H 4.366633 -2.232063 -1.313274
H 2.956689 1.638956 2.812248
H 0.178929 -4.314918 0.496491
H 4.372430 -4.634966 -0.603472
H -2.284638 1.774563 1.489390
H -4.055168 0.669230 -2.318953
H 2.277894 -5.682813 0.306058
H -4.123882 0.555859 2.695259
H -5.886777 -0.551058 -1.122607
H -5.923970 -0.616607 1.389256


